diethyl 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-[(5-nitro-1H-indol-3-yl)methyl]malonic acid diethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H18N2O6/c1-3-23-15(19)13(16(20)24-4-2)7-10-9-17-14-6-5-11(18(21)22)8-12(10)14/h5-6,8-9,13,17H,3-4,7H2,1-2H3